6-propyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-propyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]-1H-pyrimidin-4-one Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCC2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCC2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-2-5-13-10-14(23)20-17(19-13)25-9-4-7-15-21-16(22-24-15)12-6-3-8-18-11-12/h3,6,8,10-11H,2,4-5,7,9H2,1H3,(H,19,20,23)